1-(4-bromanyl-3-methyl-phenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromo-3-methyl-phenyl)triazole-4-carboxylic acid CAS Name: 1-(4-bromo-3-methylphenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromo-3-methylphenyl)triazole-4-carboxylic acid Traditional Name: 1-(4-bromo-3-methyl-phenyl)triazole-4-carboxylic acid Formula: C10H8BrN3O2 MolecularWeight: 282.09342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=C(N=N2)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=C(N=N2)C(=O)O)Br

InChI

InChI=1S/C10H8BrN3O2/c1-6-4-7(2-3-8(6)11)14-5-9(10(15)16)12-13-14/h2-5H,1H3,(H,15,16)